disodium;acetate;tetrafluoroborate

C2H3BF4Na2O2 — CID 173374237

IUPACdisodium;acetate;tetrafluoroborate
SMILESCC(=O)[O-].F[B-](F)(F)F.[Na+].[Na+]
InChIInChI=1S/C2H4O2.BF4.2Na/c1-2(3)4;2-1(3,4)5;;/h1H3,(H,3,4);;;/q;-1;2*+1/p-1
InChIKeyRPDGCTQCERCHJM-UHFFFAOYSA-M
MW191.83 g/mol
LogP-5.94
Rot. Bonds

About disodium;acetate;tetrafluoroborate

disodium;acetate;tetrafluoroborate (PubChem CID 173374237) has the molecular formula C2H3BF4Na2O2 and a molecular weight of 191.83 g/mol. Its IUPAC name is disodium;acetate;tetrafluoroborate.

Molecular Properties

Compound Namedisodium;acetate;tetrafluoroborate
PubChem CID173374237
Molecular FormulaC2H3BF4Na2O2
Molecular Weight191.83 g/mol
Exact Mass192.00
IUPAC Namedisodium;acetate;tetrafluoroborate
SMILESCC(=O)[O-].F[B-](F)(F)F.[Na+].[Na+]
InChIInChI=1S/C2H4O2.BF4.2Na/c1-2(3)4;2-1(3,4)5;;/h1H3,(H,3,4);;;/q;-1;2*+1/p-1
InChIKeyRPDGCTQCERCHJM-UHFFFAOYSA-M
XLogP-5.94
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.83
LogP ≤ 5-5.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

nonasodium;nonaacetate
CID 173443222
sodium;hydron;triacetate
CID 173121634
sodium;acetate;trihydrate
CID 23665404
sodium;acetate;trihydrofluoride
CID 172761892
trisodium;acetate;carbonate
CID 169079974
potassium;sodium;diacetate
CID 21470705
sodium;alumane;acetate
CID 173418045
disodium;sulfanide;acetate
CID 173135140
tetrasodium;tetraacetate;hydrate
CID 141360802
pentasodium;ethene;pentaacetate
CID 172708449
disodium;acetic acid;diacetate
CID 173429672
disodium;acetate;chloride;trihydrate
CID 160847584

Frequently Asked Questions

What is the IUPAC name of disodium;acetate;tetrafluoroborate?
The IUPAC name of disodium;acetate;tetrafluoroborate (CID 173374237) is disodium;acetate;tetrafluoroborate.
What is the SMILES notation for disodium;acetate;tetrafluoroborate?
The canonical SMILES for disodium;acetate;tetrafluoroborate is CC(=O)[O-].F[B-](F)(F)F.[Na+].[Na+].
What is the InChIKey of disodium;acetate;tetrafluoroborate?
The InChIKey is RPDGCTQCERCHJM-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4O2.BF4.2Na/c1-2(3)4;2-1(3,4)5;;/h1H3,(H,3,4);;;/q;-1;2*+1/p-1.
What are the key properties of disodium;acetate;tetrafluoroborate?
disodium;acetate;tetrafluoroborate has a molecular weight of 191.83 g/mol, XLogP of -5.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;acetate;tetrafluoroborate is sourced from PubChem (CID 173374237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).